S-sec-Butyl Phosphorothioic Dichloride - CAS 63525-20-2
Catalog: |
BB073888 |
Product Name: |
S-sec-Butyl Phosphorothioic Dichloride |
CAS: |
63525-20-2 |
Synonyms: |
Phosphorodichloridothioic acid S-sec-butyl ester |
IUPAC Name: | 2-dichlorophosphorylsulfanylbutane |
Molecular Weight: | 207.05 |
Molecular Formula: | C4H9Cl2OPS |
Canonical SMILES: | CCC(C)SP(=O)(Cl)Cl |
InChI: | InChI=1S/C4H9Cl2OPS/c1-3-4(2)9-8(5,6)7/h4H,3H2,1-2H3 |
InChI Key: | QABDNWZFVCAFCS-UHFFFAOYSA-N |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.9488785 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.9488785 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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